(2-methylpyran-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2-methylpyran-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (2-methylpyran-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-2-pyranyl)methyl ester IUPAC Name: (2-methylpyran-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methylpyran-2-yl)methyl ester Formula: C14H16O4S MolecularWeight: 280.33944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C=CC=CO2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C=CC=CO2)C

InChI

InChI=1S/C14H16O4S/c1-12-5-7-13(8-6-12)19(15,16)18-11-14(2)9-3-4-10-17-14/h3-10H,11H2,1-2H3